Basic information
- CAS
57009-73-1- Standard SMILES
c1ccc2cc(C3SCCCS3)ccc2c1- InChIKey
KDQWHJYSSCTXLG-UHFFFAOYSA-N- Molecular formula
- C14H14S2
- Average molar mass
- 246.4 g/mol
- Monoisotopic mass
- 246.05369245
Names & identifiers
- Preferred name
- 2-(Naphthalen-2-yl)-1,3-dithiane
- IUPAC
- 2-naphthalen-2-yl-1,3-dithiane
Names & synonyms
2-(Naphthalen-2-yl)-1,3-dithianeDTXSID7054115257009-73-1RefChem:254438DTXCID00491939CHEMBL739162-beta-naphthyl-1,3-dithianeSCHEMBL9270773KDQWHJYSSCTXLG-UHFFFAOYSA-N
Database identifiers
- CAS
57009-73-1- PubChem CID
- 13449802
- DTXSID
DTXSID70541152- ChEMBL
CHEMBL73916- Nikkaji
- J1.864.368E
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 223
Related reactions
1 records
Compound notes
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